Compound Detail
CHEMBL457794
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Basic Information
| ChEMBL ID | CHEMBL457794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYJUIJYNZHZBOK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
3.92
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.12 | 6.12 | 758.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 758.58 | nM | 6.12 | Binding affinity to GABA-A receptor benzodiazepine site (unknown origin) | - |
| GABA-A receptor; anion channel | IC50 | = | 750.0 | nM | 6.12 | Displacement of [3H]flunitrazepam from GABAA (unknown origin ) receptor by radio... | 33528252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-008-9111-6 | Unchecked | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine